SCHEMBL20098043

SCHEMBL20098043

CC(CCC(C)c1cccnc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.57
GOPC Q9HD26 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
RIPK1 Q13546 1/20 0.48
TBXAS1 P24557 1/20 0.46
KCNA5 P22460 4/20 0.46
KCNH2 Q12809 1/20 0.46
KCNN4 O15554 2/20 0.46
TAAR1 Q96RJ0 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX2 P34913 1/20 0.45
GAA P10253 1/20 0.45
AGTR2 P50052 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18658742 0.91 SLC6A2 (0.46) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL26024845 0.88 CFTR (0.49) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL24611172 0.85 CFTR (0.46) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL21770565 0.85 CFTR (0.47) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL24919838 0.85 CFTR (0.47) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL23689571 0.85 CFTR (0.47) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL11337414 0.85 CFTR (0.47) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL25147575 0.84 CFTR (0.43) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL18400269 0.83 KCNA5 (0.45) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL20465414 0.83 KCNA5 (0.45) CFTRGOPCSLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787811-B2 KRAS mutant protein inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-10-17 US disclosed
US-11180506-B2 KRAS mutant protein inhibitors JACOBIO PHARMACEUTICALS CO., LTD (CN) 2021-11-23 US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11180506-B2 KRAS mutant protein inhibitors KRAS, NRAS, APC CFTR 504/4885GOPC 2275/4885SLC6A2 4869/4885
US-11787811-B2 KRAS mutant protein inhibitors KRAS, NRAS, APC CFTR 504/4885GOPC 2275/4885SLC6A2 4869/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.